The 1st OpenMX developer's meeting
The 1st OpenMX developer's meeting will be held in Kobe, Japan for Dec. 21st and 22nd, 2015.
Recent development and implementation of new functionalities will be discussed
as well as advance on performance tuning of OpenMX. The meeting will provide a good
opportunity for active developers to exchange their ideas, and promote further development
of OpenMX. We also encourage researchers, who are interested in contributing to development
of OpenMX, to attend the informal meeting.
We are looking forward to having stimulating discussion in Kobe.
The meeting will be held at R501 on the fifth floor of AICS, Kobe.
Notes for visitors:
Please accept the "Visitor's Pass" at the front entrance of the building of RIKEN, Advanced
Institute for Computational Science (AICS). Please come up to the room 501 on the fifth floor,
and staff will show you to the venue.
Program
Dec. 21st
13:20-14:00
Taisuke Ozaki (Univ. of Tokyo)
Data structure of OpenMX and ADPACK
PDF
14:00-14:30
Truong Vinh Truong Duy (NISSAN ARC)
Tuning of eigenvalue solver in OpenMX
14:30-14:40
Break
14:40-14:55
Taisuke Ozaki (Univ. of Tokyo)
Orbital-resolved total energy in OpenMX
PDF
14:55-15:30
Chi-Cheng Lee (Univ. of Tokyo)
Implementation of unfolding band structure in OpenMX
PDF
15:30-16:05
Tsukuru Ohwaki (NISSAN ARC)
Natural bond orbital (NBO) analysis for large-scale DFT calculation
and its implementation into OpenMX
16:05-16:15
Break
16:15-16:50
Yung-Ting Lee (KAIST)
Developing phonon dispersion code for simulated Raman spectra by using finite-difference method
PDF
16:50-17:30
Free discussion
18:30-
Dinner
Dec. 22nd
9:20-9:55
Fumiyuki Ishii (Kanazawa Univ.)
Thermoelectric effect and Berry curvature
9:55-10:30
Mitsuaki Kawamura (Univ. of Tokyo)
Eigenchannel and real space charge current analysis
PDF
10:30-10:40
Break
10:40-11:40
Free discussion
11:40-12:40
Lunch break
12:40-13:15
Hideyuki Jippo (Fujitsu Labs.)
Modified Becke-Johnson exchange potential
PDF
13:15-13:30
Taisuke Ozaki (Univ. of Tokyo)
OpenMX in the cloud
13:30-13:40
Break
13:40-14:30
Free discussion
14:30-15:00
Short tour for the K-computer